SCHEMBL3044722

SCHEMBL3044722

COc1ccc(CCCC(=O)N(C)C2CCN(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
CCR5 P51681 1/20 0.52
HTR2A P28223 4/20 0.51
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
GAA P10253 2/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2C P28335 1/20 0.48
OPRM1 P35372 2/20 0.47
DRD2 P14416 1/20 0.46
C5AR1 P21730 1/20 0.46
MCHR1 Q99705 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3034608 0.93 CCR5 (0.53) ALOX5CCR5HTR2ACHRM5CHRM1
SCHEMBL13580701 0.86 ALOX5 (0.47) ALOX5CCR5HTR2ACHRM5CHRM1
SCHEMBL3046877 0.85 CCR5 (0.54) CCR5CHRM5CHRM1CHRM3CYP3A4
SCHEMBL3038901 0.80 RAB9A (0.60) CCR5HTR2AGAAL3MBTL1ALDH1A1
SCHEMBL3038919 0.80 LMNA (0.46) CCR5HTR2ACHRM5CHRM1CHRM3
SCHEMBL3038895 0.79 CCR5 (0.57) CCR5CYP3A4L3MBTL1OPRM1SIGMAR1
SCHEMBL3604727 0.79 C5AR1 (0.60) CCR5OPRM1DRD2C5AR1SIGMAR1
SCHEMBL17285933 0.78 SIGMAR1 (0.57) HTR2ACHRM5CHRM1CHRM3GAA
SCHEMBL3051138 0.78 CCR5 (0.56) CCR5CHRM5CHRM1CHRM3CYP3A4
SCHEMBL3035430 0.78 CCR5 (0.52) CCR5HTR2ACHRM3CYP3A4L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 ALOX5 2485/4885CCR5 565/4885HTR2A 34/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.